Chlorine in PDB 7ufk: Crystal Structure of Chimeric Omicron Rbd (Strain Ba.2) Complexed with Human ACE2

All present enzymatic activity of Crystal Structure of Chimeric Omicron Rbd (Strain Ba.2) Complexed with Human ACE2:
3.4.17.23;

The structure of Crystal Structure of Chimeric Omicron Rbd (Strain Ba.2) Complexed with Human ACE2, PDB code: 7ufk was solved by W.Zhang, K.Shi, Q.Geng, G.Ye, H.Aihara, F.Li, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.01 / 2.38
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	80.397, 117.861, 113.018, 90, 92.13, 90
R / Rfree (%)	19.2 / 23.5

The structure of Crystal Structure of Chimeric Omicron Rbd (Strain Ba.2) Complexed with Human ACE2 also contains other interesting chemical elements:

Sodium	(Na)	1 atom
Zinc	(Zn)	2 atoms

The binding sites of Chlorine atom in the Crystal Structure of Chimeric Omicron Rbd (Strain Ba.2) Complexed with Human ACE2 (pdb code 7ufk). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Chimeric Omicron Rbd (Strain Ba.2) Complexed with Human ACE2, PDB code: 7ufk:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Chimeric Omicron Rbd (Strain Ba.2) Complexed with Human ACE2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Chimeric Omicron Rbd (Strain Ba.2) Complexed with Human ACE2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl702 b:70.5 occ:1.00 NH2 A:ARG169 3.1 75.2 1.0 NE A:ARG169 3.4 55.5 1.0 CZ A:ARG169 3.7 58.2 1.0 NE1 A:TRP477 3.7 45.0 1.0 CB A:ASP499 3.8 61.0 1.0 CZ2 A:TRP477 3.8 48.1 1.0 CH2 A:TRP478 3.9 44.7 1.0 CE A:LYS481 4.0 42.0 1.0 CZ2 A:TRP478 4.0 47.3 1.0 CE2 A:TRP477 4.1 38.5 1.0 NZ A:LYS481 4.2 60.4 1.0 O A:ASP499 4.3 56.0 1.0 C A:ASP499 4.5 47.6 1.0 CD A:ARG169 4.7 49.5 1.0 CA A:ASP499 4.7 56.1 1.0 CG A:ASP499 4.8 57.6 1.0 CZ2 A:TRP165 4.8 42.0 1.0 CZ3 A:TRP478 4.9 48.8 1.0 CD1 A:TRP271 4.9 71.6 1.0 O A:TRP271 4.9 67.2 1.0 OD2 A:ASP499 4.9 60.0 1.0 CD1 A:TRP477 5.0 52.9 1.0 N A:PRO500 5.0 43.1 1.0 NH1 A:ARG169 5.0 51.9 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Chimeric Omicron Rbd (Strain Ba.2) Complexed with Human ACE2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Chimeric Omicron Rbd (Strain Ba.2) Complexed with Human ACE2 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl702 b:72.0 occ:1.00 NE1 B:TRP477 3.1 69.2 1.0 CZ2 B:TRP477 3.4 77.1 1.0 CB B:ASP499 3.5 80.3 1.0 NH2 B:ARG169 3.5 70.8 1.0 CE2 B:TRP477 3.6 74.2 1.0 NE B:ARG169 3.6 67.1 1.0 CZ2 B:TRP478 3.8 74.3 1.0 CH2 B:TRP478 3.9 78.5 1.0 CE B:LYS481 3.9 65.4 1.0 CZ B:ARG169 4.0 65.6 1.0 C B:ASP499 4.2 80.7 1.0 O B:ASP499 4.2 92.3 1.0 NZ B:LYS481 4.3 73.5 1.0 CD1 B:TRP477 4.4 81.1 1.0 CA B:ASP499 4.4 84.5 1.0 CG B:ASP499 4.5 76.0 1.0 N B:PRO500 4.6 78.2 1.0 OD2 B:ASP499 4.7 79.4 1.0 CE2 B:TRP478 4.7 65.7 1.0 CH2 B:TRP477 4.7 54.5 1.0 CD B:ARG169 4.7 76.6 1.0 CZ3 B:TRP478 4.8 76.1 1.0 CD2 B:TRP477 4.9 76.2 1.0 CZ2 B:TRP165 5.0 56.8 1.0

W.Zhang, K.Shi, Q.Geng, G.Ye, H.Aihara, F.Li. Receptor Recognition By Sars-Cov-2 Omicron Variant Suggests A Mouse Origin of the Variant To Be Published.